1-[(2,6-dichlorophenyl)methyl]pyrrolidine-2,5-dione

C11H9Cl2NO2 — CID 2437699

IUPAC1-[(2,6-dichlorophenyl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H9Cl2NO2/c12-8-2-1-3-9(13)7(8)6-14-10(15)4-5-11(14)16/h1-3H,4-6H2
InChIKeyBELUBXOPLBSVNQ-UHFFFAOYSA-N
MW258.10 g/mol
LogP2.64
Rot. Bonds2

About 1-[(2,6-dichlorophenyl)methyl]pyrrolidine-2,5-dione

1-[(2,6-dichlorophenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 2437699) has the molecular formula C11H9Cl2NO2 and a molecular weight of 258.10 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]pyrrolidine-2,5-dione
PubChem CID2437699
Molecular FormulaC11H9Cl2NO2
Molecular Weight258.10 g/mol
Exact Mass257.00
IUPAC Name1-[(2,6-dichlorophenyl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H9Cl2NO2/c12-8-2-1-3-9(13)7(8)6-14-10(15)4-5-11(14)16/h1-3H,4-6H2
InChIKeyBELUBXOPLBSVNQ-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]pyrrolidine-2,5-dione (CID 2437699) is 1-[(2,6-dichlorophenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is BELUBXOPLBSVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2/c12-8-2-1-3-9(13)7(8)6-14-10(15)4-5-11(14)16/h1-3H,4-6H2.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]pyrrolidine-2,5-dione?
1-[(2,6-dichlorophenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 258.10 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2437699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).